SCHEMBL19004724

SCHEMBL19004724

CCC(C)CC[C@H](C)CC

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL109285 1.00 TSHR (0.40) TSHRLMNA
SCHEMBL108583 0.89
SCHEMBL18600550 0.89
SCHEMBL1270793 0.86 LMNA (0.53) TSHRLMNA
SCHEMBL30697989 0.86 LMNA (0.53) TSHRLMNA
SCHEMBL25198937 0.86 LMNA (0.53) TSHRLMNA
SCHEMBL21925388 0.86 TSHR (0.50) TSHRLMNA
SCHEMBL24224784 0.86 TSHR (0.50) TSHRLMNA
SCHEMBL1093727 0.86 ALDH1A1 (0.32) TSHR
SCHEMBL7749361 0.84 TSHR (0.56) TSHRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170172993-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. 2017-06-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170172993-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy AADAT, BCAT1, GFPT1 TSHR 3516/4885LMNA 3087/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.